1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone

C21H22O4 — CID 118199612

IUPAC1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(CC(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1C
InChIInChI=1S/C21H22O4/c1-13-5-6-14(12-19(13)24-4)11-17(22)15-7-8-18-16(20(15)23)9-10-21(2,3)25-18/h5-10,12,23H,11H2,1-4H3
InChIKeySAXNKAHMJPLCPW-UHFFFAOYSA-N
MW338.40 g/mol
LogP4.32
Rot. Bonds4

About 1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone

1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone (PubChem CID 118199612) has the molecular formula C21H22O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is 1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone
PubChem CID118199612
Molecular FormulaC21H22O4
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Name1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(CC(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1C
InChIInChI=1S/C21H22O4/c1-13-5-6-14(12-19(13)24-4)11-17(22)15-7-8-18-16(20(15)23)9-10-21(2,3)25-18/h5-10,12,23H,11H2,1-4H3
InChIKeySAXNKAHMJPLCPW-UHFFFAOYSA-N
XLogP4.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)-2-methylpropan-1-one;2-(3-methoxy-4-methylphenyl)-1-(2,2,5-trimethylchromen-6-yl)ethanone
CID 157442776
1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one
CID 118199588
N-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide
CID 118199581
1-(5-methoxy-2,2-dimethylchromen-6-yl)ethanone
CID 10879004
2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone
CID 63490949
(2S)-1-(2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)propan-1-one
CID 118199584
1-(4-ethyl-2-phenylmethoxyphenyl)-2-[6-(hydroxymethyl)-2,2-dimethylchromen-5-yl]oxyethanone
CID 165158217
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
N-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide
CID 118199635
4-(3,4-dimethoxyphenoxy)-1-(5-methoxy-2,2-dimethylchromen-6-yl)but-2-yn-1-one
CID 11292723
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 63527693
(6-acetyl-2,2-dimethylchromen-5-yl) acetate
CID 162951359

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone (CID 118199612) is 1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone is COc1cc(CC(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1C.
What is the InChIKey of 1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone?
The InChIKey is SAXNKAHMJPLCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O4/c1-13-5-6-14(12-19(13)24-4)11-17(22)15-7-8-18-16(20(15)23)9-10-21(2,3)25-18/h5-10,12,23H,11H2,1-4H3.
What are the key properties of 1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone?
1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone has a molecular weight of 338.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 118199612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).